N-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,3-dien-1-ylphenyl)-7-(3,4-dihydrocarbazol-9-yl)-9,9-dimethylfluoren-2-amine

C45H40N2 — CID 155371764

IUPACN-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,3-dien-1-ylphenyl)-7-(3,4-dihydrocarbazol-9-yl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(C4=CC=CCC4)cc3)C3C=CC=CC3)ccc2-c2ccc(-n3c4c(c5ccccc53)CCC=C4)cc21
InChIInChI=1S/C45H40N2/c1-45(2)41-29-35(46(33-15-7-4-8-16-33)34-23-21-32(22-24-34)31-13-5-3-6-14-31)25-27-37(41)38-28-26-36(30-42(38)45)47-43-19-11-9-17-39(43)40-18-10-12-20-44(40)47/h3-5,7-9,11-13,15,17,19-30,33H,6,10,14,16,18H2,1-2H3
InChIKeyDUTVHOQTVMWKSX-UHFFFAOYSA-N
MW608.83 g/mol
LogP11.65
Rot. Bonds5

About N-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,3-dien-1-ylphenyl)-7-(3,4-dihydrocarbazol-9-yl)-9,9-dimethylfluoren-2-amine

N-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,3-dien-1-ylphenyl)-7-(3,4-dihydrocarbazol-9-yl)-9,9-dimethylfluoren-2-amine (PubChem CID 155371764) has the molecular formula C45H40N2 and a molecular weight of 608.83 g/mol. Its IUPAC name is N-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,3-dien-1-ylphenyl)-7-(3,4-dihydrocarbazol-9-yl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,3-dien-1-ylphenyl)-7-(3,4-dihydrocarbazol-9-yl)-9,9-dimethylfluoren-2-amine
PubChem CID155371764
Molecular FormulaC45H40N2
Molecular Weight608.83 g/mol
Exact Mass608.32
IUPAC NameN-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,3-dien-1-ylphenyl)-7-(3,4-dihydrocarbazol-9-yl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(C4=CC=CCC4)cc3)C3C=CC=CC3)ccc2-c2ccc(-n3c4c(c5ccccc53)CCC=C4)cc21
InChIInChI=1S/C45H40N2/c1-45(2)41-29-35(46(33-15-7-4-8-16-33)34-23-21-32(22-24-34)31-13-5-3-6-14-31)25-27-37(41)38-28-26-36(30-42(38)45)47-43-19-11-9-17-39(43)40-18-10-12-20-44(40)47/h3-5,7-9,11-13,15,17,19-30,33H,6,10,14,16,18H2,1-2H3
InChIKeyDUTVHOQTVMWKSX-UHFFFAOYSA-N
XLogP11.65
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.83
LogP ≤ 511.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-7-(3,4-dihydrocarbazol-9-yl)-9,9-dimethylfluoren-2-amine
CID 131994219
7-(3,4-dihydrocarbazol-9-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 170245027
6-[9-(7-cyclohexa-2,4-dien-1-yl-9,9-dimethylfluoren-2-yl)-5,6-dihydrocarbazol-3-yl]-9-phenyl-3,4-dihydrocarbazole;ethane
CID 144579160
3-N-cyclohexa-2,4-dien-1-yl-7,7-dimethyl-3-N,9-N,9-N-triphenyl-5-[4-(N-phenylanilino)phenyl]indeno[2,1-b]carbazole-3,9-diamine
CID 90050746
N-[4-(9-phenyl-5,6-dihydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 129311306
9-[4-[4-[7-[3-[7-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 89338237
7-carbazol-9-yl-N-(4-cyclohexa-1,3-dien-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;9-N,9-N-diphenyl-10-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;N-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,4-diphenylaniline
CID 161315503
N-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 129311526
6-(9,9-dimethylfluoren-2-yl)-9-(5-tetracyclo[12.5.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,14,17-nonaenyl)-3,4-dihydrocarbazole
CID 118527854
3-N-cyclohexa-2,4-dien-1-yl-3-N-dibenzofuran-3-yl-1-N-(9,9-dimethylfluoren-2-yl)-1-N-phenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 163696412
4-cyclohexa-1,3-dien-1-yl-N-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)aniline
CID 170131651
N-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-3-methylphenyl]-N-phenylnaphthalen-2-amine
CID 71024477

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,3-dien-1-ylphenyl)-7-(3,4-dihydrocarbazol-9-yl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,3-dien-1-ylphenyl)-7-(3,4-dihydrocarbazol-9-yl)-9,9-dimethylfluoren-2-amine (CID 155371764) is N-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,3-dien-1-ylphenyl)-7-(3,4-dihydrocarbazol-9-yl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,3-dien-1-ylphenyl)-7-(3,4-dihydrocarbazol-9-yl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,3-dien-1-ylphenyl)-7-(3,4-dihydrocarbazol-9-yl)-9,9-dimethylfluoren-2-amine is CC1(C)c2cc(N(c3ccc(C4=CC=CCC4)cc3)C3C=CC=CC3)ccc2-c2ccc(-n3c4c(c5ccccc53)CCC=C4)cc21.
What is the InChIKey of N-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,3-dien-1-ylphenyl)-7-(3,4-dihydrocarbazol-9-yl)-9,9-dimethylfluoren-2-amine?
The InChIKey is DUTVHOQTVMWKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H40N2/c1-45(2)41-29-35(46(33-15-7-4-8-16-33)34-23-21-32(22-24-34)31-13-5-3-6-14-31)25-27-37(41)38-28-26-36(30-42(38)45)47-43-19-11-9-17-39(43)40-18-10-12-20-44(40)47/h3-5,7-9,11-13,15,17,19-30,33H,6,10,14,16,18H2,1-2H3.
What are the key properties of N-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,3-dien-1-ylphenyl)-7-(3,4-dihydrocarbazol-9-yl)-9,9-dimethylfluoren-2-amine?
N-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,3-dien-1-ylphenyl)-7-(3,4-dihydrocarbazol-9-yl)-9,9-dimethylfluoren-2-amine has a molecular weight of 608.83 g/mol, XLogP of 11.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,3-dien-1-ylphenyl)-7-(3,4-dihydrocarbazol-9-yl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 155371764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).